2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

• ChemBase ID: 863044
• Molecular Formular: C18H25N5O
• Molecular Mass: 327.424
• Monoisotopic Mass: 327.20591045
• SMILES: c1(c([nH]nc1C)C)CC(=O)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: O=C(Cc1c(C)n[nH]c1C)NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C18H25N5O/c1-13-17(14(2)22-21-13)11-18(24)20-15-6-9-23(10-7-15)12-16-5-3-4-8-19-16/h3-5,8,15H,6-7,9-12H2,1-2H3,(H,20,24)(H,21,22)
• InChIKey: ORTBCKVFMINPPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.900644
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4188863
• LogD (pH = 7.4): 0.06851655
• Log P: 0.27792174
• Molar Refractivity: 94.8977 cm^3
• Polarizability: 36.089024 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.09
• LOG S: -1.68
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 5